User contributions for Ki514

14 May 2019

• 14:3714:37, 14 May 2019 diff hist +72 MRD:KI5432 No edit summary
• 14:3114:31, 14 May 2019 diff hist 0 N File:4KIRA.png No edit summary current
• 14:3114:31, 14 May 2019 diff hist 0 N File:3KIRA.png No edit summary current
• 14:3014:30, 14 May 2019 diff hist 0 N File:2KIRA.png No edit summary current
• 14:3014:30, 14 May 2019 diff hist +310 MRD:KI5432 No edit summary
• 14:2414:24, 14 May 2019 diff hist +498 MRD:KI5432 No edit summary
• 14:2014:20, 14 May 2019 diff hist 0 N File:1KIRA.png No edit summary current
• 14:2014:20, 14 May 2019 diff hist +4 MRD:KI5432 No edit summary
• 14:2014:20, 14 May 2019 diff hist +44 MRD:KI5432 No edit summary
• 13:3613:36, 14 May 2019 diff hist +69 MRD:KI5432 No edit summary
• 13:3013:30, 14 May 2019 diff hist +78 MRD:KI5432 No edit summary
• 13:2813:28, 14 May 2019 diff hist +62 MRD:KI5432 No edit summary
• 13:1413:14, 14 May 2019 diff hist +1,204 N MRD:KI5432 Created page with "On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a l..."
• 11:3911:39, 14 May 2019 diff hist 0 N File:HOMOKIRA2 WITHOUT ANALYSIS2.png No edit summary
• 11:3811:38, 14 May 2019 diff hist +42 Rep:Mod:KIR9876 →MOs:
• 11:2711:27, 14 May 2019 diff hist 0 N File:HOMO -10 KIRA ANNOTATED.png No edit summary current
• 11:2511:25, 14 May 2019 diff hist +40 Rep:Mod:KIR9876 →MOs:
• 00:2200:22, 14 May 2019 diff hist 0 N File:HOMO -10 KIRA.png No edit summary
• 00:2000:20, 14 May 2019 diff hist +51 Rep:Mod:KIR9876 No edit summary

13 May 2019

• 20:5320:53, 13 May 2019 diff hist +228 Rep:Mod:KIR9876 →MOs:
• 20:4520:45, 13 May 2019 diff hist 0 N File:HOMOKIRA2 WITHOUT ANALYSIS.png No edit summary current
• 20:4520:45, 13 May 2019 diff hist +94 Rep:Mod:KIR9876 No edit summary
• 19:1719:17, 13 May 2019 diff hist +197 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:

12 May 2019

• 18:4118:41, 12 May 2019 diff hist +130 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:
• 18:3618:36, 12 May 2019 diff hist +30 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:3018:30, 12 May 2019 diff hist +1 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:2818:28, 12 May 2019 diff hist 0 N File:KIRA BH3 FREQWEDS22.LOG No edit summary current
• 18:2518:25, 12 May 2019 diff hist −1 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:2518:25, 12 May 2019 diff hist 0 File:KIRA BH3 FREQWEDS2.txt Ki514 uploaded a new version of File:KIRA BH3 FREQWEDS2.txt current
• 18:1318:13, 12 May 2019 diff hist −351 Rep:Mod:KIR9876 →Project Section - Main Group Halides
• 18:1218:12, 12 May 2019 diff hist +52 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:1018:10, 12 May 2019 diff hist −23 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:0718:07, 12 May 2019 diff hist 0 N File:ALCLBR2FREQKIRA2.LOG No edit summary current
• 18:0618:06, 12 May 2019 diff hist −27 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 18:0418:04, 12 May 2019 diff hist 0 N File:Kiraalcl2brfreq.png No edit summary current
• 18:0118:01, 12 May 2019 diff hist −9 Rep:Mod:KIR9876 →Low frequencies data (in pre tags) from the *.log file (from the frequency job)
• 16:3516:35, 12 May 2019 diff hist 0 N File:ALCLBR2FREQKIRA.ogg No edit summary current
• 16:3416:34, 12 May 2019 diff hist −2 Rep:Mod:KIR9876 →Link to the frequency and/or population analysis files
• 16:3216:32, 12 May 2019 diff hist 0 N File:Kiraalcl2britem.png No edit summary current
• 16:3116:31, 12 May 2019 diff hist −9 Rep:Mod:KIR9876 →Item table (in pre tags) from the *.log file (from the optimisation job)
• 16:2816:28, 12 May 2019 diff hist 0 N File:Kiraalcl2brsummary.png No edit summary current
• 16:2716:27, 12 May 2019 diff hist −9 Rep:Mod:KIR9876 →Summary table produced by Gaussview (after optimisation)
• 16:1416:14, 12 May 2019 diff hist +826 Rep:Mod:KIR9876 No edit summary
• 16:0516:05, 12 May 2019 diff hist +316 Rep:Mod:KIR9876 →Energies:
• 15:4115:41, 12 May 2019 diff hist +154 Rep:Mod:KIR9876 →Energies:
• 15:3315:33, 12 May 2019 diff hist +33 Rep:Mod:KIR9876 →Energies:
• 15:2715:27, 12 May 2019 diff hist +98 Rep:Mod:KIR9876 →The energy of the isomers with 2 bridging Br ions:
• 14:2314:23, 12 May 2019 diff hist +5 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
• 14:1814:18, 12 May 2019 diff hist 0 N File:TERFINALFREQKIRA2.LOG No edit summary current
• 14:0114:01, 12 May 2019 diff hist 0 N File:KIRATERLOWFREQ.PNG No edit summary current